Vitas-M small molecule compound

2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2-chloro-4-nitrophenyl)-6-iodoquinazolin-4(3H)-one

Catalog ID
STK558158
SMILES Ic1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccc2c(c1)OCO2)c1ccc(cc1Cl)[N+](=O)[O-]

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C23H13ClIN3O5 MW 573.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H13ClIN3O5/c24-17-11-15(28(30)31)4-6-19(17)27-22(26-18-5-3-14(25)10-16(18)23(27)29)8-2-13-1-7-20-21(9-13)33-12-32-20/h1-11H,12H2/b8-2+
InChIKey
CJXGFPGHPPMZJY-KRXBUXKQSA-N
Synonyms

(E)2(2(benzo(d)(13)dioxol5yl)vinyl)3(2chloro4nitrophenyl)6iodoquinazolin4(3H)one
2((E)2(13benzodioxol5yl)ethenyl)3(2chloro4nitrophenyl)6iodoquinazolin4(3H)one
2((E)2(13BENZODIOXOL5YL)ETHENYL)3(2CHLORO4NITROPHENYL)6IODOQUINAZOLIN4ONE
C1OC2=C(O1)C=C(C=C2)C=CC3=NC4=C(C=C(C=C4)I)C(=O)N3C5=C(C=C(C=C5)(N+)(=O)(O))Cl
Ic1ccc2c(c1)c(=O)n(c(n2)C=Cc1ccc2c(c1)OCO2)c1ccc(cc1Cl)(N+)(=O)(O)
InChI=1SC23H13ClIN3O5c24171115(28(30)31)4619(17)2722(26185314(25)1016(18)23(27)29)8213172021(913)33123220h111H12H2b82+
MFCD04030462
ZINC000102480093
ZINC102480093

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Available files

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